1-(2-chlorothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol

C10H9ClF2OS — CID 165492043

IUPAC1-(2-chlorothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol
SMILESOC1(c2ccsc2Cl)C=CC(F)(F)CC1
InChIInChI=1S/C10H9ClF2OS/c11-8-7(1-6-15-8)9(14)2-4-10(12,13)5-3-9/h1-2,4,6,14H,3,5H2
InChIKeyMJGIIIPDUUDESF-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.57
Rot. Bonds1

About 1-(2-chlorothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol

1-(2-chlorothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol (PubChem CID 165492043) has the molecular formula C10H9ClF2OS and a molecular weight of 250.70 g/mol. Its IUPAC name is 1-(2-chlorothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(2-chlorothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol
PubChem CID165492043
Molecular FormulaC10H9ClF2OS
Molecular Weight250.70 g/mol
Exact Mass250.00
IUPAC Name1-(2-chlorothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol
SMILESOC1(c2ccsc2Cl)C=CC(F)(F)CC1
InChIInChI=1S/C10H9ClF2OS/c11-8-7(1-6-15-8)9(14)2-4-10(12,13)5-3-9/h1-2,4,6,14H,3,5H2
InChIKeyMJGIIIPDUUDESF-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol?
The IUPAC name of 1-(2-chlorothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol (CID 165492043) is 1-(2-chlorothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol.
What is the SMILES notation for 1-(2-chlorothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol?
The canonical SMILES for 1-(2-chlorothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol is OC1(c2ccsc2Cl)C=CC(F)(F)CC1.
What is the InChIKey of 1-(2-chlorothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol?
The InChIKey is MJGIIIPDUUDESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2OS/c11-8-7(1-6-15-8)9(14)2-4-10(12,13)5-3-9/h1-2,4,6,14H,3,5H2.
What are the key properties of 1-(2-chlorothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol?
1-(2-chlorothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol has a molecular weight of 250.70 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol is sourced from PubChem (CID 165492043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).